[3-(3-sulfanylprop-1-ynyl)phenyl]methanol

C10H10OS — CID 169486148

IUPAC[3-(3-sulfanylprop-1-ynyl)phenyl]methanol
SMILESOCc1cccc(C#CCS)c1
InChIInChI=1S/C10H10OS/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,11-12H,6,8H2
InChIKeyBWLGCUVKWHXVCY-UHFFFAOYSA-N
MW178.26 g/mol
LogP1.46
Rot. Bonds1

About [3-(3-sulfanylprop-1-ynyl)phenyl]methanol

[3-(3-sulfanylprop-1-ynyl)phenyl]methanol (PubChem CID 169486148) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is [3-(3-sulfanylprop-1-ynyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-sulfanylprop-1-ynyl)phenyl]methanol
PubChem CID169486148
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name[3-(3-sulfanylprop-1-ynyl)phenyl]methanol
SMILESOCc1cccc(C#CCS)c1
InChIInChI=1S/C10H10OS/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,11-12H,6,8H2
InChIKeyBWLGCUVKWHXVCY-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxymethyl)phenyl]ethynyl thiohypoiodite
CID 167449599
(3-pent-1-ynylphenyl)methanol
CID 11159609
3-(3-sulfanylprop-1-ynyl)benzonitrile
CID 169486248
3-(3-methylphenyl)prop-2-yne-1-thiol
CID 169485951
[3-(2-trimethylsilylethynyl)phenyl]methanol
CID 68608963
methyl 4-[3-(hydroxymethyl)phenyl]but-3-ynoate
CID 170469072
3-(3-phenylphenyl)prop-2-yne-1-thiol
CID 169487323
3-(3-sulfanylprop-1-ynyl)benzoic acid
CID 169486382
3-[3-(methylamino)phenyl]prop-2-yne-1-thiol
CID 169486262
3-(3-sulfanylprop-1-ynyl)benzohydrazide
CID 169486919
ethyl 3-[3-(hydroxymethyl)phenyl]prop-2-ynoate
CID 122647699
3-(3-methylsulfonylphenyl)prop-2-yne-1-thiol
CID 169486779

Frequently Asked Questions

What is the IUPAC name of [3-(3-sulfanylprop-1-ynyl)phenyl]methanol?
The IUPAC name of [3-(3-sulfanylprop-1-ynyl)phenyl]methanol (CID 169486148) is [3-(3-sulfanylprop-1-ynyl)phenyl]methanol.
What is the SMILES notation for [3-(3-sulfanylprop-1-ynyl)phenyl]methanol?
The canonical SMILES for [3-(3-sulfanylprop-1-ynyl)phenyl]methanol is OCc1cccc(C#CCS)c1.
What is the InChIKey of [3-(3-sulfanylprop-1-ynyl)phenyl]methanol?
The InChIKey is BWLGCUVKWHXVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c11-8-10-4-1-3-9(7-10)5-2-6-12/h1,3-4,7,11-12H,6,8H2.
What are the key properties of [3-(3-sulfanylprop-1-ynyl)phenyl]methanol?
[3-(3-sulfanylprop-1-ynyl)phenyl]methanol has a molecular weight of 178.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-sulfanylprop-1-ynyl)phenyl]methanol is sourced from PubChem (CID 169486148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).